Description

1-Methylcaffeine is a methylated derivative of caffeine, a purine alkaloid with the CAS registry number 832-66-6. This specialized compound is valued for its role as a key intermediate and reference standard in advanced pharmaceutical research and development. It is primarily utilized by R&D laboratories and manufacturers in the pharmaceutical, nutraceutical, and fine chemical sectors for developing novel bioactive molecules and analytical methods.

Application

• Pharmaceutical Intermediate: Serves as a crucial building block in the synthesis of novel therapeutic agents and drug candidates.
• Biochemical Research: Used as a reference standard and tool compound in metabolic studies and enzyme interaction assays.
• Analytical Chemistry: Employed as a high-purity standard for method development and calibration in chromatographic analysis (HPLC, LC-MS).
• Nutraceutical Development: Investigated for potential applications in the development of specialized dietary supplements and functional ingredients.
• Fine Chemical Synthesis: Acts as a precursor for the synthesis of more complex, methylated xanthine derivatives.

Basic Information

Product Name	1-Methylcaffeine
CAS No.	832-66-6
Molecular Formula	C9H12N4O2
Molecular Weight	208.22 g/mol
Synonyms	1,3,7-Trimethyl-3,7-dihydro-1H-purine-2,6-dione; 1,3,7-Trimethylxanthine; 1-Methyltheobromine; Caffeine 1-methyl; 1-Methyl-3,7-dihydro-1H-purine-2,6-dione; Theacrine (Note: Theacrine is a closely related, naturally occurring analog); 1,3,7-Trimethyluric acid (tautomeric form)
EINECS	212-621-6

Quality Control

Our 1-Methylcaffeine is manufactured under strict quality management systems. Each batch undergoes comprehensive analytical testing, including identification by FT-IR and NMR, purity assay by HPLC, and control of related substances, to ensure it meets the high standards required for research and synthesis. Certificates of Analysis (COA) detailing all test results are provided with every shipment.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated area at a controlled room temperature (15-25°C). Keep the container tightly sealed when not in use to protect from moisture.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to reference spectrum
Identification (NMR)	Conforms to structure
Assay (HPLC)	≥ 98.0%
Related Substances (HPLC)	Total impurities ≤ 2.0%
Loss on Drying	≤ 0.5%
Residue on Ignition	≤ 0.1%

Note: Specifications can be tailored. Please contact us for the detailed technical data sheet of a specific grade.